carbonyl(benzonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate | 133672-19-2

• 英文名称: carbonyl(benzonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate
• CAS: 133672-19-2
• 化学式: C₂₀H₃₇MnNOP₄*C₂₄H₂₀B
• 分子量: 805.587
• InChiKey: RHOLSKBHWNNUMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  carbonyl(benzonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate 、 乙腈 以 乙腈 为溶剂， 以75%的产率得到carbonyl(acetonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate
  参考文献：
  名称：

  含1,2-双（二甲基膦基）乙烷配体的阳离子二甲基锰（III）配合物的合成，结构和反应

  摘要：

  A stable dimethylmanganese(III) complex, [MnMe2(dmpe)2]+AlMe4- (1) has been prepared by the reaction of Mn(acac)3 with trimethylaluminum in the presence of 1,2-bis(dimethylphosphino)ethane in ether. An anion-exchange reaction of 1 stabilizes the dimethylmanganese(III) complex to give [MnMe2(dmpe)2]+BPh4- (2). X-ray structure analysis reveals that 2 has an octahedral trans configuration: triclinic, space group P1, a = 16.587 (4) angstrom, b = 17.122 (8) angstrom, c = 16.539 (2) angstrom, alpha = 106.86 (2) degrees, beta = 105.76 (2)-degrees, gamma = 107.64 (2)-degrees, Z = 4, R = 0.081, R(w) = 0.094, respectively, with use of 6956 reflections. The average Mn-P bond distance in 2 is longer than that in the isostructural dimethylmanganese(II) complex and shorter than that in octahedral tetramethyl(1,2-bis(dimethylphosphino)ethane)manganese(IV), reflecting the importance of back-bonding in the M-P bond. Reaction of 2 with carbon monoxide in benzonitrile at 90-degrees-C affords [Mn(CO)(PhCN)(dmpe)2]+BPh4- (3) with liberation of a quantitative yield of acetone. Octahedral trans configuration of 3 is unequivocally determined by X-ray structure analysis: monoclinic, space group P2(1)/n, a = 23.111 (4) angstrom, b = 14.935 (3) angstrom, c = 13.602 (3) angstrom, beta = 105.14-degrees, Z = 4, R = 0.059, R(w) = 0.053, respectively with use of 3699 reflections. An intermediate unstable purple complex, [Mn(PhCN)(dmpe)2]+BPh4- (5) has been obtained when the reaction of 2 with carbon monoxide is carried out at 40-degrees-C.

  DOI：

  10.1021/om00051a020
• 作为产物：
  描述：

  (benzonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate*water 在 CO 作用下， 以 苯甲腈 为溶剂， 生成 carbonyl(benzonitrile)bis(1,2-bis(dimethylphosphino)ethane)manganese(I) tetraphenylborate
  参考文献：
  名称：

  含1,2-双（二甲基膦基）乙烷配体的阳离子二甲基锰（III）配合物的合成，结构和反应

  摘要：

  A stable dimethylmanganese(III) complex, [MnMe2(dmpe)2]+AlMe4- (1) has been prepared by the reaction of Mn(acac)3 with trimethylaluminum in the presence of 1,2-bis(dimethylphosphino)ethane in ether. An anion-exchange reaction of 1 stabilizes the dimethylmanganese(III) complex to give [MnMe2(dmpe)2]+BPh4- (2). X-ray structure analysis reveals that 2 has an octahedral trans configuration: triclinic, space group P1, a = 16.587 (4) angstrom, b = 17.122 (8) angstrom, c = 16.539 (2) angstrom, alpha = 106.86 (2) degrees, beta = 105.76 (2)-degrees, gamma = 107.64 (2)-degrees, Z = 4, R = 0.081, R(w) = 0.094, respectively, with use of 6956 reflections. The average Mn-P bond distance in 2 is longer than that in the isostructural dimethylmanganese(II) complex and shorter than that in octahedral tetramethyl(1,2-bis(dimethylphosphino)ethane)manganese(IV), reflecting the importance of back-bonding in the M-P bond. Reaction of 2 with carbon monoxide in benzonitrile at 90-degrees-C affords [Mn(CO)(PhCN)(dmpe)2]+BPh4- (3) with liberation of a quantitative yield of acetone. Octahedral trans configuration of 3 is unequivocally determined by X-ray structure analysis: monoclinic, space group P2(1)/n, a = 23.111 (4) angstrom, b = 14.935 (3) angstrom, c = 13.602 (3) angstrom, beta = 105.14-degrees, Z = 4, R = 0.059, R(w) = 0.053, respectively with use of 3699 reflections. An intermediate unstable purple complex, [Mn(PhCN)(dmpe)2]+BPh4- (5) has been obtained when the reaction of 2 with carbon monoxide is carried out at 40-degrees-C.

  DOI：

  10.1021/om00051a020